CID 167042

14263-93-5

Structural Information

Molecular Formula
C9H8N3O2
SMILES
COC1=CC(=C(C=C1C#N)OC)[N+]#N
InChI
InChI=1S/C9H8N3O2/c1-13-8-4-7(12-11)9(14-2)3-6(8)5-10/h3-4H,1-2H3/q+1
InChIKey
SMAINMIHMWGFQE-UHFFFAOYSA-N
Compound name
4-cyano-2,5-dimethoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06893 151.4
[M+Na]+ 213.05087 162.0
[M-H]- 189.05437 156.3
[M+NH4]+ 208.09547 164.6
[M+K]+ 229.02481 156.8
[M+H-H2O]+ 173.05891 138.1
[M+HCOO]- 235.05985 166.3
[M+CH3COO]- 249.07550 214.8
[M+Na-2H]- 211.03632 155.9
[M]+ 190.06110 145.4
[M]- 190.06220 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.